CID 441106

1,3,4,10,11,12-hexahydroxy-6-methyltetracene-2-carboxamide

Structural Information

Molecular Formula
C20H15NO7
SMILES
CC1=C2C=CC=C(C2=C(C3=C(C4=C(C=C13)C(=C(C(=C4O)C(=O)N)O)O)O)O)O
InChI
InChI=1S/C20H15NO7/c1-6-7-3-2-4-10(22)11(7)16(24)12-8(6)5-9-13(17(12)25)18(26)14(20(21)28)19(27)15(9)23/h2-5,22-27H,1H3,(H2,21,28)
InChIKey
WSYJHDYOVBGOSR-UHFFFAOYSA-N
Compound name
1,3,4,10,11,12-hexahydroxy-6-methyltetracene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

27
Patents

381.08484 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.09212 185.9
[M+Na]+ 404.07406 196.7
[M-H]- 380.07756 186.3
[M+NH4]+ 399.11866 197.1
[M+K]+ 420.04800 192.4
[M+H-H2O]+ 364.08210 179.4
[M+HCOO]- 426.08304 198.1
[M+CH3COO]- 440.09869 219.1
[M+Na-2H]- 402.05951 187.9
[M]+ 381.08429 188.0
[M]- 381.08539 188.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe